N-tert-butyl-2-[4-[2-(4-methoxyphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(4-methoxyphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(4-methoxyphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(4-methoxyphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(4-methoxyphenyl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H29N3O3S/c1-19(2,3)20-17(23)13-21-9-11-22(12-10-21)18(24)14-26-16-7-5-15(25-4)6-8-16/h5-8H,9-14H2,1-4H3,(H,20,23)/p+1